5HW6

Candida albicans FKBP12 apo protein in C2 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-21
Detector	MAR CCD 130 mm
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	99.474, 42.980, 70.696
Unit cell angles	90.00, 128.22, 90.00

Refinement procedure

Resolution	25.960 - 2.401
R-factor	0.1818
Rwork	0.177
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.861
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.101	0.067	0.197
Total number of observations	30224
Number of reflections	9189
<I/σ(I)>	13.1
Completeness [%]	98.2	97.4	93.8
Redundancy	3.3	3.4	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	25% PEG 8000, 0.1 M Sodium acetate pH 4.5 and 0.2M Lithium Sulfate